Tripos SYBYL-X-2.0.0.11273 LINUX x86 英文正式版(分子結構模擬軟體)
破解說明:
check crack\install.txt
內容說明:
在新的 SYBYL-X 版本中，提供了分子模型製作與最加直覺式的製作操作介面
Sybyl 軟體套件，Tripos出品的專業分子模擬平台，涵蓋了分子模擬與顯示、定量
構效關係和ADME、藥效團模型、生物訊息學、基於結構的藥物設計、化學訊息學和
資料庫、組合化學和分子多樣性、NMR 資料處理、化合物實體提供等多種與藥物研
究和開發相關的方向，為使用者提供全面的藥物設計和生物化學研究的解決方案。
包括以下內容相關的模組:
- 基本作業系統(包括開發平台)
- 基於配體的藥物設計(藥效團概念、QSAR 和 ADME)
- 藥物設計(虛擬篩選 和 de novo 設計)
- 組合化學(化學庫設計和分子多樣性)
- 結構生物學(大分子模擬和同源模建)
- 訊息學(生物訊息學和化學訊息學)
- NMR 相關模組
英文說明:
SYBYL-X provides intuitive molecular modeling for life scientists
interested in drug and molecular design. Small molecule and macromolecular
modeling and simulation, cheminformatics, lead identification, lead
optimization techniques and more are possible with SYBYL-X.
Molecular Modeling from Sequence through Lead Optimization SYBYL-X.
Whether you need to find new lead candidates, optimize lead series, or
perform other related life science experiments like modeling a protein
structure, SYBYL-X has solutions to move your discovery research
forward. With capabilities for small molecule modeling and simulation,
macromolecular modeling and simulation, cheminformatics, lead
identification, and lead optimization, all wrapped up in an easy to use,
cost-effective interface, SYBYL-X has the tools and capabilities you
need for molecular design.
Additionally, the science offered by SYBYL-X provides unique, competitive
advantages in a number of areas vital for today's successful discovery
research:
* 3D QSAR: use the power of industry leading CoMFA in a new way to
generate novel ideas for R-groups - predict the level of biological
activity or potency based on structure-activity data, not just yes/no
activity predictions
* Ligand-based virtual screening: search millions of compounds overnight -
don't miss hits because you only screened subsetted portions of your database
* Cheminformatics: produce highly focused queries that avoid false
positives using rich set of 3D queries; on-the-fly conformational
searching means you only store a single conformation of your molecules,
keeping database size small and very transportable.
* Docking: custom tailor and fine-tune docking to a particular receptor
site using information like SAR or known poses to improve rank ordering
of ligands.
圖片說明:
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